5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

C75H50N2O2 — CID 126550480

IUPAC5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4cccc(C)c4)c4cccc5c4oc4ccc6ccccc6c45)c4ccccc4c2-3)c2cccc3c2oc2ccc4ccccc4c23)c1
InChIInChI=1S/C75H50N2O2/c1-47-19-15-27-53(43-47)76(65-35-17-33-61-71-56-29-11-9-21-49(56)37-41-68(71)78-73(61)65)55-39-40-60-63(45-55)75(51-23-5-3-6-24-51,52-25-7-4-8-26-52)64-46-67(58-31-13-14-32-59(58)70(60)64)77(54-28-16-20-48(2)44-54)66-36-18-34-62-72-57-30-12-10-22-50(57)38-42-69(72)79-74(62)66/h3-46H,1-2H3
InChIKeyQZDDOWLETVHWBL-UHFFFAOYSA-N
MW1011.24 g/mol
LogP20.86
Rot. Bonds8

About 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 126550480) has the molecular formula C75H50N2O2 and a molecular weight of 1011.24 g/mol. Its IUPAC name is 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
PubChem CID126550480
Molecular FormulaC75H50N2O2
Molecular Weight1011.24 g/mol
Exact Mass1010.39
IUPAC Name5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4cccc(C)c4)c4cccc5c4oc4ccc6ccccc6c45)c4ccccc4c2-3)c2cccc3c2oc2ccc4ccccc4c23)c1
InChIInChI=1S/C75H50N2O2/c1-47-19-15-27-53(43-47)76(65-35-17-33-61-71-56-29-11-9-21-49(56)37-41-68(71)78-73(61)65)55-39-40-60-63(45-55)75(51-23-5-3-6-24-51,52-25-7-4-8-26-52)64-46-67(58-31-13-14-32-59(58)70(60)64)77(54-28-16-20-48(2)44-54)66-36-18-34-62-72-57-30-12-10-22-50(57)38-42-69(72)79-74(62)66/h3-46H,1-2H3
InChIKeyQZDDOWLETVHWBL-UHFFFAOYSA-N
XLogP20.86
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.24
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-methylphenyl)dibenzofuran-4-amine
CID 90140402
7,7-dimethyl-5-N,9-N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550503
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 159414247
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 144614567
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (CID 126550480) is 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is Cc1cccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4cccc(C)c4)c4cccc5c4oc4ccc6ccccc6c45)c4ccccc4c2-3)c2cccc3c2oc2ccc4ccccc4c23)c1.
What is the InChIKey of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The InChIKey is QZDDOWLETVHWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2O2/c1-47-19-15-27-53(43-47)76(65-35-17-33-61-71-56-29-11-9-21-49(56)37-41-68(71)78-73(61)65)55-39-40-60-63(45-55)75(51-23-5-3-6-24-51,52-25-7-4-8-26-52)64-46-67(58-31-13-14-32-59(58)70(60)64)77(54-28-16-20-48(2)44-54)66-36-18-34-62-72-57-30-12-10-22-50(57)38-42-69(72)79-74(62)66/h3-46H,1-2H3.
What are the key properties of 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 1011.24 g/mol, XLogP of 20.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 126550480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).